2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]-N-phenethyl-acetamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-2-26-21(28)20-19(16-10-6-7-11-17(16)24-20)25-22(26)29-14-18(27)23-13-12-15-8-4-3-5-9-15/h3-11,24H,2,12-14H2,1H3,(H,23,27)